SCHEMBL1800914

SCHEMBL1800914

COc1ccc(C(=O)N2CCC(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
P2RY1 P47900 2/20 0.55
GAA P10253 1/20 0.51
SIRT3 Q9NTG7 1/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HIF1A Q16665 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
HSD11B1 P28845 1/20 0.47
RECQL P46063 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4128931 0.85 RAB9A (0.61) SMN1; SMN2RAB9AALDH1A1TSHRP2RY1
SCHEMBL6070400 0.85 HPGD (0.44) SMN1; SMN2RAB9AALDH1A1HPGDHSD11B1
SCHEMBL4131021 0.81 P2RY1 (0.66) SMN1; SMN2RAB9AALDH1A1TSHRP2RY1
SCHEMBL12617577 0.78 MGLL (0.45) SMN1; SMN2RAB9AALDH1A1TSHRP2RY1
SCHEMBL1799232 0.78 MGLL (0.45) SMN1; SMN2RAB9AALDH1A1TSHRP2RY1
SCHEMBL5262721 0.77 PTGDR2 (0.69) P2RY1PTGDR2MEN1KMT2A
SCHEMBL12617633 0.77 PTGDR2 (0.69) P2RY1PTGDR2MEN1KMT2A
SCHEMBL1800686 0.77 PTGDR2 (0.69) P2RY1PTGDR2MEN1KMT2A
SCHEMBL5315478 0.77 PTGDR2 (0.69) P2RY1PTGDR2MEN1KMT2A
SCHEMBL5262719 0.77 PTGDR2 (0.69) P2RY1PTGDR2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-1861372-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-05 EP disclosed
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
WO-2006091674-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGER2, PTGDR2, PTGER1 SMN1; SMN2 4530/4885RAB9A 3908/4885ALDH1A1 2836/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.